Uploads by Awp13
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 16:55, 30 November 2015 | Ethene LUMO AM1.PNG (file) |  |
81 KB | 1 | |
| 16:54, 30 November 2015 | Ethene HOMO AM1.PNG (file) |  |
84 KB | 1 | |
| 16:53, 30 November 2015 | Ethene OptFreq AM1 summary.PNG (file) |  |
15 KB | 1 | |
| 16:52, 30 November 2015 | ETHENE OPTFREQ AM1.LOG (file) |  |
96 KB | 1 | |
| 16:28, 30 November 2015 | HOMO AM1.PNG (file) |  |
63 KB | 1 | |
| 16:28, 30 November 2015 | LUMO AM1.PNG (file) |  |
69 KB | 1 | |
| 16:16, 30 November 2015 | Cis-Butadiene OptFreq AM1 summary.PNG (file) |  |
15 KB | 1 | |
| 16:11, 30 November 2015 | CIS-BUTADIENE OPTFREQ AM1.LOG (file) | |
135 KB | 1 | |
| 20:06, 27 November 2015 | Chair Activation Energy Calc M1 Summary.PNG (file) |  |
16 KB | 1 | |
| 20:05, 27 November 2015 | CHAIR ACTIVATION ENERGY CALC M1.LOG (file) | |
308 KB | 1 | |
| 19:46, 27 November 2015 | BOAT ACT ENERGY CALC.LOG (file) | |
316 KB | 1 | |
| 19:45, 27 November 2015 | Boat Act Energy Calc Summary.PNG (file) |  |
15 KB | 1 | |
| 19:22, 27 November 2015 | IRC Chair 50 Summary.PNG (file) |  |
14 KB | 2 | |
| 19:15, 27 November 2015 | IRC Chair 50 OptFreq Prod Summary.PNG (file) |  |
15 KB | 1 | |
| 18:39, 27 November 2015 | IRC Chair 50 Graph.PNG (file) |  |
33 KB | 1 | |
| 18:20, 27 November 2015 | IRC CHAIR 50.LOG (file) | |
463 KB | 1 | |
| 17:08, 27 November 2015 | ANTI2 REOPTIMISATION.LOG (file) | |
144 KB | 3 | |
| 16:58, 27 November 2015 | Boat TS QST2 Alt Angle TS OPT.PNG (file) |  |
14 KB | 1 | |
| 16:56, 27 November 2015 | BOAT TS QST2 ALT ANGLE.LOG (file) | |
619 KB | 1 | |
| 16:48, 27 November 2015 | Boat TS QST2 Alt Angle.PNG (file) |  |
62 KB | 1 | |
| 16:11, 27 November 2015 | Boat TS QST2 WillFail.PNG (file) |  |
39 KB | 1 | |
| 16:05, 27 November 2015 | BOAT TS QST2 WILLFAIL.LOG (file) | |
602 KB | 1 | |
| 15:46, 27 November 2015 | Labeling startpoint failure.PNG (file) |  |
48 KB | 1 | |
| 14:21, 27 November 2015 | CHAIR TS GUESS OPTFREQ HF 2 MODRED2 DER.PNG (file) |  |
14 KB | 1 | |
| 14:19, 27 November 2015 | CHAIR TS GUESS OPTFREQ HF 2 MODRED2 DER.LOG (file) | |
240 KB | 1 | |
| 17:53, 26 November 2015 | Chair TS OptFreq Frozen2Summary.PNG (file) |  |
15 KB | 1 | |
| 17:50, 26 November 2015 | CHAIR TS OPTFREQ FROZEN2.LOG (file) | |
310 KB | 1 | |
| 16:40, 26 November 2015 | Chair TS Guess OptFreq HF 2Summary.PNG (file) |  |
14 KB | 1 | |
| 16:32, 26 November 2015 | Chair TS Guess OptFreq HF 2.mng (file) | |
1.42 MB | 1 | |
| 16:17, 26 November 2015 | CHAIR TS GUESS OPTFREQ HF 2.LOG (file) | |
287 KB | 1 | |
| 16:16, 26 November 2015 | Chair TS Guess OptFreq HF 2.mol (file) | |
2 KB | 1 | |
| 15:56, 26 November 2015 | ALLYL2 OPT HF Summary.PNG (file) |  |
14 KB | 1 | |
| 15:54, 26 November 2015 | ALLYL2 OPT HF.LOG (file) | |
121 KB | 1 | |
| 13:38, 26 November 2015 | ANTI2 REOPTIMISATION FREQ.LOG (file) | |
80 KB | 1 | |
| 16:29, 24 November 2015 | Anti2 labled.PNG (file) |  |
51 KB | 1 | |
| 15:49, 24 November 2015 | Anti2 reopt results summary.PNG (file) |  |
13 KB | 1 | |
| 15:45, 24 November 2015 | Anti2 reoptimisation.mol (file) | |
2 KB | 1 | |
| 14:45, 24 November 2015 | ANTI2 OPTIMISATION.LOG (file) | |
175 KB | 1 | |
| 14:44, 24 November 2015 | Anti2 results summary.PNG (file) |  |
13 KB | 1 | |
| 14:43, 24 November 2015 | Anti2 optimisation.mol (file) | |
2 KB | 1 | |
| 14:07, 24 November 2015 | Gauche Cyclopentadiene Opt.mol (file) | |
2 KB | 1 | |
| 14:04, 24 November 2015 | Anti cyclopentadiene app 2.mol (file) | |
2 KB | 1 | |
| 13:59, 24 November 2015 | GAUCHE CYCLOPENTADIENE OPT.LOG (file) | |
169 KB | 1 | |
| 13:54, 24 November 2015 | Anti CYCLOPENTADIENE APP 2.LOG (file) | |
184 KB | 1 | |
| 00:15, 24 November 2015 | Cope Rearrangement WHanalysis.png (file) |  |
8 KB | 2 | |
| 21:36, 23 November 2015 | Cope Rearrangement awp13.png (file) |  |
6 KB | 1 | |
| 16:47, 23 November 2015 | Gauche Cyclopentadiene.PNG (file) |  |
16 KB | Structure | 1 |
| 16:46, 23 November 2015 | Gauche Cyclopentadiene Calc.PNG (file) |  |
14 KB | Optimisation calculation for gauche conformer | 1 |
| 15:34, 23 November 2015 | Anti cyclopentadiene Calc.PNG (file) |  |
16 KB | Calculation summary | 1 |
| 15:16, 23 November 2015 | Anti cyclopentadiene.PNG (file) |  |
13 KB | Image after optimisation part 1.1.1 a) | 1 |
